8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

C22H28N4O2 — CID 163652053

IUPAC8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12
InChIInChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27)
InChIKeyINAMOLSCDQBLNK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.01
Rot. Bonds4

About 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 163652053) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID163652053
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12
InChIInChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27)
InChIKeyINAMOLSCDQBLNK-UHFFFAOYSA-N
XLogP4.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 163652053) is 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is CCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12.
What is the InChIKey of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is INAMOLSCDQBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27).
What are the key properties of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 380.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 163652053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).